Sertraline

Sertraline

SCHEMBL3885286

CN[C@H]1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A4

The experimentally established mechanism targets of Sertraline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 5/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
CYP3A4 P08684 5/20 1.00
SLC6A2 P23975 5/20 1.00
SLC6A3 Q01959 5/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2C19 P33261 3/20 1.00
NPC1 O15118 2/20 1.00
CYP2D6 P10635 2/20 1.00
MTOR P42345 2/20 1.00
RAB9A P51151 2/20 1.00
MLNR O43193 1/20 1.00
NR1I2 O75469 1/20 1.00
ABCB11 O95342 1/20 1.00
ESR1 P03372 1/20 1.00
CHRM2 P08172 1/20 1.00
CHRM4 P08173 1/20 1.00
ABCB1 P08183 1/20 1.00
ADRB1 P08588 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Sertraline SCHEMBL29690831 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL3841967 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL29374222 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL14028076 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL7922153 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL3947169 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL30244837 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL3856872 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL137619 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4
Sertraline SCHEMBL137618 1.00 MEN1 (1.00) MEN1KMT2ACYP3A4SLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028901-B1 ANTIDEPRESSANT DERIVATIVES OF TRANS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP claimed
EP-0030081-A1 Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof PFIZER INC. (US) 1981-06-10 EP claimed
US-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-23 US disclosed
EP-1904066-B1 COMBINATIONS OF ESZOPICLONE AND TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPTHALENAMINE OR TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHALENAMINE, for treating MENOPAUSE, perimenopause AND COGNITIVE DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2018-05-23 EP disclosed
US-20170158607-A1 ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 US disclosed
US-20170158607-A1 ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 US disclosed
US-20140315910-A1 Combinations of Eszopiclone and Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Napthalenamine or Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Napthalenamine, and Methods of Treatment of Menopause and Mood, Anxiety, and Cognitive Disorders SEPRACOR INC. 2014-10-23 US disclosed
US-20140315910-A1 Combinations of Eszopiclone and Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Napthalenamine or Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Napthalenamine, and Methods of Treatment of Menopause and Mood, Anxiety, and Cognitive Disorders SEPRACOR INC. 2014-10-23 US disclosed
US-20130065904-A1 Combinations of Eszopiclone and Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Napthalenamine or Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Napthalenamine, and Methods of Treatment of Menopause and Mood, Anxiety, and Cognitive Disorders SUNOVION PHARMACEUTICALS INC. (US) 2013-03-14 US disclosed
US-20130065904-A1 Combinations of Eszopiclone and Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Napthalenamine or Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Napthalenamine, and Methods of Treatment of Menopause and Mood, Anxiety, and Cognitive Disorders SUNOVION PHARMACEUTICALS INC. (US) 2013-03-14 US disclosed
US-8329950-B2 Process for preparation of trans 4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1Napthalenamine SUNOVION PHARMACEUTICALS INC. (US) 2012-12-11 US disclosed
US-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy ARNERIC STEPHEN P (US) 2005-03-17 US disclosed
US-20030083338-A1 Compositions and methods for management of serotonin-mediated disorders SEPRACOR, INC. 2003-05-01 US disclosed
US-6482440-B2 FLUOXETINE, PAROXETINE, SERTRALINE, NEFAZODONE, VENLAFAXINE, TRAZODONE, BUPROPRION, MIRTAZAPINE, FLUVOXAMINE, DULOXETINE, SALTS AND LONG CHAIN DERIVATIVES OF THOSE COMPOUNDS PHASE 2 DISCOVERY, INC. 2002-11-19 US disclosed
US-20020132854-A1 Long acting antidepressant microparticles PHASE 2 DISCOVERY, INC. 2002-09-19 US disclosed
WO-1999057093-A1 PROCESS FOR THE PREPARATION OF SERTRALINE AND ITS 1,R-STEREOISOMER EGIS Gyógyszergyár Rt. (HU) 1999-11-11 WO disclosed
EP-0415612-B1 Use of sertraline for the treatment of chemical dependencies PFIZER (US) 1993-11-10 EP disclosed
US-4536518-A Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine PFIZER INC. (US) 1985-08-20 US disclosed
US-4536518-A Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine PFIZER INC. (US) 1985-08-20 US disclosed
EP-0030081-B1 ANTIDEPRESSANT DERIVATIVES OF CIS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140315910-A1 Combinations of Eszopiclone and Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Napthalenamine or Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Napthalenamine, and Methods of Treatment of Menopause and Mood, Anxiety, and Cognitive Disorders HTR4, HTR2C, HTR1D SLC6A4 38/4885MEN1 1045/4885KMT2A 365/4885
US-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy SLC6A2, SLC18A2, ADRA2C SLC6A4 4/4885MEN1 4090/4885KMT2A 1893/4885
US-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants TPH1, NAT1, TPH2 SLC6A4 14/4885MEN1 1676/4885KMT2A 1181/4885
US-20130065904-A1 Combinations of Eszopiclone and Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Napthalenamine or Trans 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Napthalenamine, and Methods of Treatment of Menopause and Mood, Anxiety, and Cognitive Disorders HTR4, HTR2C, HTR1D SLC6A4 38/4885MEN1 1045/4885KMT2A 365/4885
US-20020132854-A1 Long acting antidepressant microparticles HTR5A, HTR6, HTR7 SLC6A4 7/4885MEN1 819/4885KMT2A 3486/4885
US-20170158607-A1 ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS TPH1, NAT1, TPH2 SLC6A4 14/4885MEN1 1676/4885KMT2A 1181/4885
US-20030083338-A1 Compositions and methods for management of serotonin-mediated disorders HTR5A, TPH1, HTR4 SLC6A4 12/4885MEN1 4284/4885KMT2A 3693/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.